Glycoside
GD119832
Name:
Chakasaponin VFormula:
C63H98O27Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.86 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 15 |
| MolWt: | 1287.45 | Num_heavy_atoms: | 90 |
| TPSA: | 426.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD04129
Formula: C40H62O8
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 670.93 | Num_heavy_atoms: | 48 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
